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acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 8hZMLAT68Ge
InChI InChI=1S/C18H16N4O3S2/c1-2-7-22-17(15-4-3-8-26-15)20-21-18(22)27-10-16(23)19-12-5-6-13-14(9-12)25-11-24-13/h2-6,8-9H,1,7,10-11H2,(H,19,23)
InChIKey VCYHLBPHHGEQNC-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C18H16N4O3S2
Exact Mass 400.066383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5jJUYahTaKT
Name acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.066382736 u
Formula C18H16N4O3S2
InChI InChI=1S/C18H16N4O3S2/c1-2-7-22-17(15-4-3-8-26-15)20-21-18(22)27-10-16(23)19-12-5-6-13-14(9-12)25-11-24-13/h2-6,8-9H,1,7,10-11H2,(H,19,23)
InChIKey VCYHLBPHHGEQNC-UHFFFAOYSA-N
Molecular Weight 400.471 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6100
Solvent DMSO-d6
Source Vendor ID: NMR/10310701; Lab Info: SAD; Lab Number: 34